5-(3-methoxyphenyl)hex-5-en-3-one

C13H16O2 — CID 143913597

IUPAC5-(3-methoxyphenyl)hex-5-en-3-one
SMILESC=C(CC(=O)CC)c1cccc(OC)c1
InChIInChI=1S/C13H16O2/c1-4-12(14)8-10(2)11-6-5-7-13(9-11)15-3/h5-7,9H,2,4,8H2,1,3H3
InChIKeyCYJAUUKIWSUKJI-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.08
Rot. Bonds5

About 5-(3-methoxyphenyl)hex-5-en-3-one

5-(3-methoxyphenyl)hex-5-en-3-one (PubChem CID 143913597) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)hex-5-en-3-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)hex-5-en-3-one
PubChem CID143913597
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(3-methoxyphenyl)hex-5-en-3-one
SMILESC=C(CC(=O)CC)c1cccc(OC)c1
InChIInChI=1S/C13H16O2/c1-4-12(14)8-10(2)11-6-5-7-13(9-11)15-3/h5-7,9H,2,4,8H2,1,3H3
InChIKeyCYJAUUKIWSUKJI-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
hex-1-en-2-yl 3-methoxybenzoate
CID 73010414
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116709839
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)hex-5-en-3-one?
The IUPAC name of 5-(3-methoxyphenyl)hex-5-en-3-one (CID 143913597) is 5-(3-methoxyphenyl)hex-5-en-3-one.
What is the SMILES notation for 5-(3-methoxyphenyl)hex-5-en-3-one?
The canonical SMILES for 5-(3-methoxyphenyl)hex-5-en-3-one is C=C(CC(=O)CC)c1cccc(OC)c1.
What is the InChIKey of 5-(3-methoxyphenyl)hex-5-en-3-one?
The InChIKey is CYJAUUKIWSUKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-12(14)8-10(2)11-6-5-7-13(9-11)15-3/h5-7,9H,2,4,8H2,1,3H3.
What are the key properties of 5-(3-methoxyphenyl)hex-5-en-3-one?
5-(3-methoxyphenyl)hex-5-en-3-one has a molecular weight of 204.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)hex-5-en-3-one is sourced from PubChem (CID 143913597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).